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Ligand

NameCHEMBL3586426
Molecular formulaC23H24N4OS
IUPAC name[(3aS,6aR)-2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-thiophen-2-ylphenyl)methanone
Molecular weight404.532
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50097388
Inchi KeyLZTSTMNHWRCGAK-HDICACEKSA-N
Inchi IDInChI=1S/C23H24N4OS/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,17-18H,11-14H2,1-2H3/t17-,18+
PubChem CID122180330
ChEMBLCHEMBL3586426
IUPHARN/A
BindingDB50097388
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
487711Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
487710Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460
487712Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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